3-(benzylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(benzylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(benzylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0168 |
| Compound Name: | 3-(benzylamino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 297.74 |
| Molecular Formula: | C17 H12 Cl N O2 |
| Smiles: | C(c1ccccc1)NC1=C(C(C1=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3414 |
| logD: | 3.3413 |
| logSw: | -3.761 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.216 |
| InChI Key: | YUZUPMDVQYRMEI-UHFFFAOYSA-N |